(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine

C10H15NO4S — CID 117365219

IUPAC(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
SMILESCOc1ccc(OC)c(S(C)(=O)=O)c1CN
InChIInChI=1S/C10H15NO4S/c1-14-8-4-5-9(15-2)10(7(8)6-11)16(3,12)13/h4-5H,6,11H2,1-3H3
InChIKeyACCFCEWAGGLYIG-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.57
Rot. Bonds4

About (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine

(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine (PubChem CID 117365219) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
PubChem CID117365219
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
SMILESCOc1ccc(OC)c(S(C)(=O)=O)c1CN
InChIInChI=1S/C10H15NO4S/c1-14-8-4-5-9(15-2)10(7(8)6-11)16(3,12)13/h4-5H,6,11H2,1-3H3
InChIKeyACCFCEWAGGLYIG-UHFFFAOYSA-N
XLogP0.57
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117438167
6-amino-2-(aminomethyl)-3-methoxybenzenesulfonic acid
CID 22616944
3-(3,6-dimethoxy-2-methylsulfonylphenyl)butan-1-amine
CID 117463938
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
2-(3-methoxy-2-methylsulfonylphenyl)ethanamine
CID 117330971
2-amino-2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117467276
2-[(3,6-dimethoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117498779
1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117463599
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
3,5-dimethoxy-4-methylsulfonylaniline
CID 84794352
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)butanoic acid
CID 117468920

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine?
The IUPAC name of (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine (CID 117365219) is (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine?
The canonical SMILES for (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine is COc1ccc(OC)c(S(C)(=O)=O)c1CN.
What is the InChIKey of (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine?
The InChIKey is ACCFCEWAGGLYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-14-8-4-5-9(15-2)10(7(8)6-11)16(3,12)13/h4-5H,6,11H2,1-3H3.
What are the key properties of (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine?
(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine has a molecular weight of 245.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethoxy-2-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 117365219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).